UCSF

ZINC34455417

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 15 Yes

Other Names:

MFCD18417595

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.34 2.66 -8.95 1 4 0 59 203.197 2
Hi High (pH 8-9.5) 1.34 3.42 -39.21 0 4 -1 62 202.189 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )